1-[(2R)-butan-2-yl]-N-ethyl-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-[(2R)-butan-2-yl]-N-ethyl-4-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-ethyl-1-[(1R)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-[(2R)-butan-2-yl]-N-ethyl-4-oxo-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 1-[(2R)-butan-2-yl]-N-ethyl-4-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-ethyl-4-keto-1-[(1R)-1-methylpropyl]nicotinamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(=O)NCC

Isomeric SMILES

CC[C@@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)NCC

InChI

InChI=1S/C26H34N4O3/c1-4-20(3)30-18-22(25(32)27-5-2)24(31)23(19-30)26(33)29-16-14-28(15-17-29)13-9-12-21-10-7-6-8-11-21/h6-12,18-20H,4-5,13-17H2,1-3H3,(H,27,32)/p+1/b12-9+/t20-/m1/s1